methyl 3-imino-5,9-dimethyldec-8-enoate

C13H23NO2 — CID 54056647

IUPACmethyl 3-imino-5,9-dimethyldec-8-enoate
SMILES[H]/N=C(\CC(=O)OC)CC(C)CCC=C(C)C
InChIInChI=1S/C13H23NO2/c1-10(2)6-5-7-11(3)8-12(14)9-13(15)16-4/h6,11,14H,5,7-9H2,1-4H3/b14-12-
InChIKeyLWSOCVBJKWDTAB-OWBHPGMISA-N
MW225.33 g/mol
LogP3.34
Rot. Bonds7

About methyl 3-imino-5,9-dimethyldec-8-enoate

methyl 3-imino-5,9-dimethyldec-8-enoate (PubChem CID 54056647) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 3-imino-5,9-dimethyldec-8-enoate.

Molecular Properties

Compound Namemethyl 3-imino-5,9-dimethyldec-8-enoate
PubChem CID54056647
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 3-imino-5,9-dimethyldec-8-enoate
SMILES[H]/N=C(\CC(=O)OC)CC(C)CCC=C(C)C
InChIInChI=1S/C13H23NO2/c1-10(2)6-5-7-11(3)8-12(14)9-13(15)16-4/h6,11,14H,5,7-9H2,1-4H3/b14-12-
InChIKeyLWSOCVBJKWDTAB-OWBHPGMISA-N
XLogP3.34
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carboxy 3,7-dimethyloct-6-enimidate
CID 139305540
methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
CID 24853912
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
N-ethyl-3,7-dimethyloct-6-enamide
CID 91172474
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
methyl 3-methyl-6-oxohexanoate
CID 11194469
[(3R)-3,7-dimethyloct-6-enyl] (5S)-3-hydroxy-5,9-dimethyldec-8-enoate
CID 166747683
methyl 5,9-dimethyldeca-3,8-dienoate
CID 71334771
methyl 3-methylhept-6-enoate
CID 19865945
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
8,12-dimethyltridec-11-ene-3,6-dione
CID 138968115

Frequently Asked Questions

What is the IUPAC name of methyl 3-imino-5,9-dimethyldec-8-enoate?
The IUPAC name of methyl 3-imino-5,9-dimethyldec-8-enoate (CID 54056647) is methyl 3-imino-5,9-dimethyldec-8-enoate.
What is the SMILES notation for methyl 3-imino-5,9-dimethyldec-8-enoate?
The canonical SMILES for methyl 3-imino-5,9-dimethyldec-8-enoate is [H]/N=C(\CC(=O)OC)CC(C)CCC=C(C)C.
What is the InChIKey of methyl 3-imino-5,9-dimethyldec-8-enoate?
The InChIKey is LWSOCVBJKWDTAB-OWBHPGMISA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)6-5-7-11(3)8-12(14)9-13(15)16-4/h6,11,14H,5,7-9H2,1-4H3/b14-12-.
What are the key properties of methyl 3-imino-5,9-dimethyldec-8-enoate?
methyl 3-imino-5,9-dimethyldec-8-enoate has a molecular weight of 225.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-imino-5,9-dimethyldec-8-enoate is sourced from PubChem (CID 54056647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).